[Wien] about the mstar program

[Ramazan KATIRCI]

Dear Wien2k users

I read the article of "Perturbation approach to ab initio effective mass calculations" completely and carefully. I implemented all the instructions in it to compare the results. But the data I acquired in minv-ij-up.data is different from the data presented in the article. Firstly I used default parameters in the bash file of mstar (E-max = 7  .inso file and Emax =10 in .in1 file). As I say the outputs in the minv_ij-up is completely different. Later, I changed the parameters of E-max=5 Ry .inso file and E-max=5  .in1 file as specified in the article. the outputs is  different again. Although I used the the same parameters as the article, why the results are so different. Actually I want this method to compare the effective mass with parabolic approximation method. 

I have the other question. When I examined the minv_d-up.data and minv_c-up files, How can I understant which k points and band corresponding to the lowest conduction band and highest valance band.

The bash and minv-ij-up files were shared with this link above;

https://drive.google.com/drive/folders/1wkOCXyz__oLWz98cgrGUk3cLP2NCfzVB?usp=sharing
 

Thank you in advance for your help

Best regards
Ramazan Katırcı